6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine

C16H33NO2 — CID 105156636

IUPAC6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
SMILESCCCNC(CCCC1CCCO1)CCOCCC
InChIInChI=1S/C16H33NO2/c1-3-11-17-15(10-14-18-12-4-2)7-5-8-16-9-6-13-19-16/h15-17H,3-14H2,1-2H3
InChIKeyOTFYYRZJVDIOIQ-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.52
Rot. Bonds12

About 6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine

6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine (PubChem CID 105156636) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
PubChem CID105156636
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
SMILESCCCNC(CCCC1CCCO1)CCOCCC
InChIInChI=1S/C16H33NO2/c1-3-11-17-15(10-14-18-12-4-2)7-5-8-16-9-6-13-19-16/h15-17H,3-14H2,1-2H3
InChIKeyOTFYYRZJVDIOIQ-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
5-(oxolan-2-yl)-1-propoxypentan-2-amine
CID 65164244
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
6-(oxolan-2-yl)-3-propan-2-yl-N-propylhexan-2-amine
CID 65162085

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine?
The IUPAC name of 6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine (CID 105156636) is 6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine.
What is the SMILES notation for 6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine?
The canonical SMILES for 6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine is CCCNC(CCCC1CCCO1)CCOCCC.
What is the InChIKey of 6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine?
The InChIKey is OTFYYRZJVDIOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-11-17-15(10-14-18-12-4-2)7-5-8-16-9-6-13-19-16/h15-17H,3-14H2,1-2H3.
What are the key properties of 6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine?
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine has a molecular weight of 271.44 g/mol, XLogP of 3.52, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine is sourced from PubChem (CID 105156636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).